3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide

C17H17BrFNO — CID 81459566

IUPAC3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(F)cc2C)cc1Br
InChIInChI=1S/C17H17BrFNO/c1-11-3-4-14(10-16(11)18)17(21)20-8-7-13-5-6-15(19)9-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyUVKUCGGEHDDZFW-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.18
Rot. Bonds4

About 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide

3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide (PubChem CID 81459566) has the molecular formula C17H17BrFNO and a molecular weight of 350.23 g/mol. Its IUPAC name is 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
PubChem CID81459566
Molecular FormulaC17H17BrFNO
Molecular Weight350.23 g/mol
Exact Mass349.05
IUPAC Name3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(F)cc2C)cc1Br
InChIInChI=1S/C17H17BrFNO/c1-11-3-4-14(10-16(11)18)17(21)20-8-7-13-5-6-15(19)9-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)
InChIKeyUVKUCGGEHDDZFW-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
3-bromo-2-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]benzamide
CID 106544675
4,5-dibromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]thiophene-2-carboxamide
CID 80536566
4-(2-amino-2-oxoethoxy)-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-methoxybenzamide
CID 119159659
4-fluoro-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 115745181
4-amino-3-bromo-N-[2-(2-methylphenyl)ethyl]benzamide
CID 79749765
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
3-bromo-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 81476107
4-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81245489
3-bromo-N-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methylbenzamide
CID 81459565
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103747121

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide (CID 81459566) is 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccc(F)cc2C)cc1Br.
What is the InChIKey of 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide?
The InChIKey is UVKUCGGEHDDZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrFNO/c1-11-3-4-14(10-16(11)18)17(21)20-8-7-13-5-6-15(19)9-12(13)2/h3-6,9-10H,7-8H2,1-2H3,(H,20,21).
What are the key properties of 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide?
3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide has a molecular weight of 350.23 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(4-fluoro-2-methylphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 81459566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).